cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)

C120H144N24O36 — CID 139176165

IUPACcyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1
InChIInChI=1S/12C6H6N2O.12C4H6O2/c12*7-6(9)5-1-3-8-4-2-5;12*5-4(6)3-1-2-3/h12*1-4H,(H2,7,9);12*3H,1-2H2,(H,5,6)
InChIKeyPNKWEQFYCIELNG-UHFFFAOYSA-N
MW2498.60 g/mol
LogP7.94
Rot. Bonds24

About cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)

cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide) (PubChem CID 139176165) has the molecular formula C120H144N24O36 and a molecular weight of 2498.60 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide).

Molecular Properties

Compound Namecyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)
PubChem CID139176165
Molecular FormulaC120H144N24O36
Molecular Weight2498.60 g/mol
Exact Mass2497.02
IUPAC Namecyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1
InChIInChI=1S/12C6H6N2O.12C4H6O2/c12*7-6(9)5-1-3-8-4-2-5;12*5-4(6)3-1-2-3/h12*1-4H,(H2,7,9);12*3H,1-2H2,(H,5,6)
InChIKeyPNKWEQFYCIELNG-UHFFFAOYSA-N
XLogP7.94
TPSA1119.36 Ų
H-Bond Donors24
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002498.60
LogP ≤ 57.94
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1036

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Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)?
The IUPAC name of cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide) (CID 139176165) is cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide).
What is the SMILES notation for cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)?
The canonical SMILES for cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide) is NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)?
The InChIKey is PNKWEQFYCIELNG-UHFFFAOYSA-N. The full InChI is InChI=1S/12C6H6N2O.12C4H6O2/c12*7-6(9)5-1-3-8-4-2-5;12*5-4(6)3-1-2-3/h12*1-4H,(H2,7,9);12*3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide)?
cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide) has a molecular weight of 2498.60 g/mol, XLogP of 7.94, 24 rotatable bonds, 24 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;dodecakis(pyridine-4-carboxamide) is sourced from PubChem (CID 139176165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).